5-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-[(4-chlorophenyl)thio]ethyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorophenyl)thio]ethyl]-2-methoxy-benzamide Formula: C22H27ClN2O4S2 MolecularWeight: 483.04378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O4S2/c1-29-21-11-10-19(31(27,28)25-13-4-2-3-5-14-25)16-20(21)22(26)24-12-15-30-18-8-6-17(23)7-9-18/h6-11,16H,2-5,12-15H2,1H3,(H,24,26)